CAS RN: 108723-79-1
2-AMINO-N,N-DIETHYL-ACETAMIDE HCL
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: starshine_CAS108723-79-1
- Purity/Analytical Methods: >99.0%
108723-79-1 / 2-amino-N,N-diethylacetamide;hydrochloride
2-Amino-N,N-diethylacetamide hydrochloride | RefChem:464896 | 664-274-9
Basic Information
CAS
108723-79-1
Multi CAS
No
Molecular Formula
C6H15ClN2O
Molecular Weight
166.650000
Exact Mass
166.087291
SMILES
CCN(CC)C(=O)CN.Cl
InChI
InChI=1S/C6H14N2O.ClH/c1-3-8(4-2)6(9)5-7;/h3-5,7H2,1-2H3;1H
InChIKey
RKWHGMGYRWKDSF-UHFFFAOYSA-N
Synonyms
2-Amino-N,N-diethylacetamide hydrochloride
RefChem:464896
664-274-9
MFCD07366745
2-Amino-N,N-diethyl acetamide hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.23
TPSA
46.33
LogP / Solubility
WLOGP
0.24
MLOGP
0.2
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
Customers Also Viewed
-
![CAS 108724-09-0 7-Bromothiazolo[4,5-c]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-Bromothiazolo[4,5-c]pyridine
- CAS RN: 108724-09-0
- Product Code: starshine_CAS108724-09-0
- Purity/Analytical method: >99.0%
-
-
-
-
-
![CAS 108724-09-0 7-Bromothiazolo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/108724-09-0.gif)
![CAS 108749-08-2 1,2,3,4-TETRAHYDRO-[2,7]NAPHTHYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/108749-08-2.gif)
